-
6
-
-
4243764925
-
-
Li, Y.; Langreth, D. C.; Pederson, M. R. Phys. Rev. B 1995, 52, 6067.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 6067
-
-
Li, Y.1
Langreth, D.C.2
Pederson, M.R.3
-
10
-
-
36549100819
-
-
Bagus, P. S.; Nelin, C. J.; Bauchlicher, C. W.; Laskowski, B. C.; Seel, M. J. Chem. Phys. 1984, 81, 3594.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3594
-
-
Bagus, P.S.1
Nelin, C.J.2
Bauchlicher, C.W.3
Laskowski, B.C.4
Seel, M.5
-
14
-
-
36449001657
-
-
Bagus, P. S.; Illas, F.; Sousa, C. J. Chem. Phys. 1994, 100, 2943.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2943
-
-
Bagus, P.S.1
Illas, F.2
Sousa, C.3
-
15
-
-
0001563740
-
-
Sousa, C.; Illas, F.; Ricart, J. M.; Bagus, P. S. Chem. Phys. Lett. 1995, 239, 263.
-
(1995)
Chem. Phys. Lett.
, vol.239
, pp. 263
-
-
Sousa, C.1
Illas, F.2
Ricart, J.M.3
Bagus, P.S.4
-
16
-
-
84990666903
-
-
Pacchioni, G.; Cogliandro, G.; Bagus, P. S. Int. J. Quantum Chem. 1992, 42, 1115.
-
(1992)
Int. J. Quantum Chem.
, vol.42
, pp. 1115
-
-
Pacchioni, G.1
Cogliandro, G.2
Bagus, P.S.3
-
18
-
-
0001177596
-
-
Roos, B. O.; Taylor, P. M.; Siegbahn, P. E. M. Chem. Phys. 1980, 48, 157.
-
(1980)
Chem. Phys.
, vol.48
, pp. 157
-
-
Roos, B.O.1
Taylor, P.M.2
Siegbahn, P.E.M.3
-
19
-
-
34250699732
-
-
Siegbahn, P. E. M.; Almlof, J.; Heiberg, A.; Roos, B. O. J. Chem. Phys. 1981, 74, 2384.
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 2384
-
-
Siegbahn, P.E.M.1
Almlof, J.2
Heiberg, A.3
Roos, B.O.4
-
21
-
-
0000193086
-
-
Huron, B.; Malrieu, J. P.; Rancurel, P. J. Chem. Phys. 1974, 3, 277.
-
(1974)
J. Chem. Phys.
, vol.3
, pp. 277
-
-
Huron, B.1
Malrieu, J.P.2
Rancurel, P.3
-
22
-
-
0011504669
-
-
Illas, F.; Rubio, J.; Ricart, J. M.; Bagus, P. S. J. Chem. Phys. 1991, 95, 1877.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1877
-
-
Illas, F.1
Rubio, J.2
Ricart, J.M.3
Bagus, P.S.4
-
25
-
-
0009570031
-
-
Illas, F.; Merchan, M.; Pelissier, M.; Malrieu, J. P. Chem. Phys. 1986, 107, 361.
-
(1986)
Chem. Phys.
, vol.107
, pp. 361
-
-
Illas, F.1
Merchan, M.2
Pelissier, M.3
Malrieu, J.P.4
-
26
-
-
0040854410
-
-
Illas, F.; Rubio, J.; Ricart, J. M. J. Chem. Phys. 1988, 88, 260.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 260
-
-
Illas, F.1
Rubio, J.2
Ricart, J.M.3
-
27
-
-
0346821299
-
-
Illas, F.; Rubio, J.; Ricart, J. M. J. Mol. Struct. (THEOCHEM) 1993, 287, 167.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.287
, pp. 167
-
-
Illas, F.1
Rubio, J.2
Ricart, J.M.3
-
28
-
-
0011398544
-
-
Evangelisti, S.; Daudey, J. P.; Malrieu, J. P. Chem. Phys. 1983, 75, 91.
-
(1983)
Chem. Phys.
, vol.75
, pp. 91
-
-
Evangelisti, S.1
Daudey, J.P.2
Malrieu, J.P.3
-
29
-
-
36549103649
-
-
Bagus, P. S.; Hermann, K.; Bauschlicher, C. W., Jr. J. Chem. Phys. 1984, 80, 4378.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 4378
-
-
Bagus, P.S.1
Hermann, K.2
Bauschlicher Jr., C.W.3
-
30
-
-
36549095723
-
-
Bagus, P. S.; Hermann, K.; Bauschlicher, C. W., Jr. J. Chem. Phys. 1984, 81, 1966.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 1966
-
-
Bagus, P.S.1
Hermann, K.2
Bauschlicher Jr., C.W.3
-
34
-
-
0042011272
-
-
Masip, J.; Rubio, J.; Illas, F. Chem. Phys. Lett. 1985, 120, 513.
-
(1985)
Chem. Phys. Lett.
, vol.120
, pp. 513
-
-
Masip, J.1
Rubio, J.2
Illas, F.3
-
35
-
-
0000295366
-
-
Nelin, C. J.; Bagus, P. S.; Philpott, M. R. J. Chem. Phys. 1987, 87, 2170.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 2170
-
-
Nelin, C.J.1
Bagus, P.S.2
Philpott, M.R.3
-
36
-
-
36549100938
-
-
Bagus, P. S.; Pacchioni, G.; Philpott, M. R. J. Chem. Phys. 1989, 90, 4287.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 4287
-
-
Bagus, P.S.1
Pacchioni, G.2
Philpott, M.R.3
-
40
-
-
0009790772
-
-
QCPE University of Indiana, Bloomington, IN 47401. Pseudopotential adaptation by J. P. Daudey and M. Pelissier. General ROFH adaptation by R. Caballol and J. P. Daudey. CIPSI chain of programs by M. Pellisier, P. Daudey, J. P. Malrieu, S. Evangelisti, F. Spiegelmann, D. Maynau, J. Rubio, and F. Illas
-
Dupuis, M.; Rys, J.; King, H. F. HONDO-76, program 338, QCPE University of Indiana, Bloomington, IN 47401. Pseudopotential adaptation by J. P. Daudey and M. Pelissier. General ROFH adaptation by R. Caballol and J. P. Daudey. CIPSI chain of programs by M. Pellisier, P. Daudey, J. P. Malrieu, S. Evangelisti, F. Spiegelmann, D. Maynau, J. Rubio, and F. Illas.
-
HONDO-76, Program 338
-
-
Dupuis, M.1
Rys, J.2
King, H.F.3
-
41
-
-
25744447692
-
-
Garcia Cuesta, I.; Sanchez de Meras, A.; Gil, I. Nebot Chem. Phys. Lett. 1991, 186, 386.
-
(1991)
Chem. Phys. Lett.
, vol.186
, pp. 386
-
-
Garcia Cuesta, I.1
Sanchez De Meras, A.2
Gil, I.N.3
-
43
-
-
0042660398
-
-
Garcia Cuesta, I.; de Meras, Sanchez, A.; Gil, I. Nebot Chem. Phys. Lett. 1993, 205, 484.
-
(1993)
Chem. Phys. Lett.
, vol.205
, pp. 484
-
-
Garcia Cuesta, I.1
De Meras Sanchez, A.2
Gil, I.N.3
-
45
-
-
0003953364
-
-
Ed.; Electronic properties of Solids using Cluster Methods; Kaplan, T. A., Ed.; Plenum Press: New York
-
Bagus, P. S.; Illas, F.; Sousa, C.; Pacchioni, G. Fundamental Material Science I: Ed.; Electronic properties of Solids using Cluster Methods; Kaplan, T. A., Ed.; Plenum Press: New York, 1995; p 93.
-
(1995)
Fundamental Material Science I
, pp. 93
-
-
Bagus, P.S.1
Illas, F.2
Sousa, C.3
Pacchioni, G.4
-
47
-
-
33748915724
-
-
Spiegelmann, F.; Malrieu, J. P.; Maynau, D.; Zurru, J. P. J. Chim. Phys. 1986, 83, 69.
-
(1986)
J. Chim. Phys.
, vol.83
, pp. 69
-
-
Spiegelmann, F.1
Malrieu, J.P.2
Maynau, D.3
Zurru, J.P.4
-
48
-
-
0003291936
-
-
Lepetit, M. B.; Malrieu, J. P.; Trinquier, G. Chem. Phys. 1989, 130, 229.
-
(1989)
Chem. Phys.
, vol.130
, pp. 229
-
-
Lepetit, M.B.1
Malrieu, J.P.2
Trinquier, G.3
-
49
-
-
0037628653
-
-
Lepetit, M. B.; Malrieu, J. P.; Pelissier, M. Phys. Rev. A 1989, 39, 981.
-
(1989)
Phys. Rev. A
, vol.39
, pp. 981
-
-
Lepetit, M.B.1
Malrieu, J.P.2
Pelissier, M.3
-
50
-
-
0012239365
-
The hierarchy of VB determinants and how to exploit it through magnetic hamiltonians
-
Elsevier Science Publishers B. V.: Amsterdam, The Netherlands
-
Malrieu, J. P. The hierarchy of VB determinants and how to exploit it through magnetic hamiltonians: Valence Bond Theory and Chemical Structure. Elsevier Science Publishers B. V.: Amsterdam, The Netherlands, 1990.
-
(1990)
Valence Bond Theory and Chemical Structure
-
-
Malrieu, J.P.1
-
52
-
-
0012190469
-
-
Clotet, A.; Daudey, J. P.; Malrieu, J. P.; Rubio, J.; Spiegelmann, F. Chem. Phys. 1990, 147, 293.
-
(1990)
Chem. Phys.
, vol.147
, pp. 293
-
-
Clotet, A.1
Daudey, J.P.2
Malrieu, J.P.3
Rubio, J.4
Spiegelmann, F.5
-
53
-
-
21344493868
-
-
Clotet, A.; Ricart, J. M.; Rubio, J.; Illas, F. Chem. Phys. 1993, 177, 61.
-
(1993)
Chem. Phys.
, vol.177
, pp. 61
-
-
Clotet, A.1
Ricart, J.M.2
Rubio, J.3
Illas, F.4
|